4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine

C19H25N5 — CID 70733172

IUPAC4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESCc1cccnc1N1CCN(c2nccc(C3CCCC3)n2)CC1
InChIInChI=1S/C19H25N5/c1-15-5-4-9-20-18(15)23-11-13-24(14-12-23)19-21-10-8-17(22-19)16-6-2-3-7-16/h4-5,8-10,16H,2-3,6-7,11-14H2,1H3
InChIKeyVQXJIDNJJWDAHM-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.16
Rot. Bonds3

About 4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine

4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine (PubChem CID 70733172) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
PubChem CID70733172
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESCc1cccnc1N1CCN(c2nccc(C3CCCC3)n2)CC1
InChIInChI=1S/C19H25N5/c1-15-5-4-9-20-18(15)23-11-13-24(14-12-23)19-21-10-8-17(22-19)16-6-2-3-7-16/h4-5,8-10,16H,2-3,6-7,11-14H2,1H3
InChIKeyVQXJIDNJJWDAHM-UHFFFAOYSA-N
XLogP3.16
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine (CID 70733172) is 4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine is Cc1cccnc1N1CCN(c2nccc(C3CCCC3)n2)CC1.
What is the InChIKey of 4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine?
The InChIKey is VQXJIDNJJWDAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-15-5-4-9-20-18(15)23-11-13-24(14-12-23)19-21-10-8-17(22-19)16-6-2-3-7-16/h4-5,8-10,16H,2-3,6-7,11-14H2,1H3.
What are the key properties of 4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine?
4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine has a molecular weight of 323.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 70733172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).